2-acetamido-4-(4H-1,2,4-triazol-4-yl)benzoic acid
Chemical Structure Depiction of
2-acetamido-4-(4H-1,2,4-triazol-4-yl)benzoic acid
2-acetamido-4-(4H-1,2,4-triazol-4-yl)benzoic acid
Compound characteristics
| Compound ID: | 8020-0076 |
| Compound Name: | 2-acetamido-4-(4H-1,2,4-triazol-4-yl)benzoic acid |
| Molecular Weight: | 246.22 |
| Molecular Formula: | C11 H10 N4 O3 |
| Smiles: | CC(Nc1cc(ccc1C(O)=O)n1cnnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1948 |
| logD: | -3.7138 |
| logSw: | -2.1895 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.243 |
| InChI Key: | RSBOAXUGULBZJD-UHFFFAOYSA-N |